SCHEMBL7630641

SCHEMBL7630641

CCC(C)Cc1ccccc1CC(C)CC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
TRPA1 O75762 1/20 0.39
TSHR P16473 2/20 0.38
TAAR1 Q96RJ0 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
SLC6A2 P23975 2/20 0.36
LMNA P02545 2/20 0.36
MAOA P21397 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19120903 0.93 SLC6A2 (0.40) GABRA1GABRB2TRPA1TSHRSLC6A2
SCHEMBL477350 0.89 CYP4F2 (0.40) GABRA1GABRB2TRPA1TSHRSLC6A2
SCHEMBL7739069 0.86 TAAR1 (0.43) TSHRTAAR1SLC6A2LMNASLC6A4
SCHEMBL9193881 0.86 MMP1 (0.35) GABRA1GABRB2TRPA1TSHRTAAR1
SCHEMBL6547503 0.85 HTR2A (0.46) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL23153080 0.84 TSHR (0.50) GABRA1GABRB2TSHRTAAR1SLC6A2
SCHEMBL8224139 0.84 SLC6A2 (0.48) TAAR1SLC6A2LMNASLC6A4SLC6A3
SCHEMBL10601325 0.84 GABRA1 (0.38) GABRA1GABRB2TRPA1TSHRTAAR1
SCHEMBL3959615 0.84 TSHR (0.50) GABRA1GABRB2TSHRTAAR1SLC6A2
SCHEMBL20376166 0.84 TAAR1 (0.43) TAAR1SLC6A2LMNASLC6A4SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233028-A1 OPTICAL MATERIAL COMPRISING STAR-SHAPED HYDROGENATED POLYSTYRENE BLOCK COPOLYMER, PROCESS FOR PRODUCING THE SAME, AND SUBSTRATE FOR OPTICAL DISK TEIJIN LIMITED (JP) 2002-08-21 EP disclosed